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conformational analysis

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conformational analysis
n
(Chemistry) Chem the study of the spatial arrangement of atoms or groups of atoms in a molecule and the way in which this influences chemical behaviour


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Topics of the ten papers include thermodynamic approaches to understanding protein denatured states, conformational analysis of unfolded peptide states by UV-CD and NMR, peptide model systems of protein disordered states, and global versus local features of an unfolded peptide system.
Its product offering includes Jaguar, a high-performance quantum chemical software package, and the MacroModel molecular modeling package with superior conformational analysis capabilities, a variety of force fields, and a unique continuum solvation model for modeling both organic molecules and biomolecules using molecular mechanics-based methodology.
Examples of specific topics include nitrogen-containing organofluorine compounds through metathesis reactions, highly diastereoselective anodic fluorination, functional compounds based on hypervalent sulfur fluorides, synthesis of macrolactam marine natural products using fluorous protecting groups, solvent-peptide interaction in fluoroalcohol-water mixtures, and synthesis and conformational analysis of fluorine-containing oligopeptides.
 
 
 
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